4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

C21H27N — CID 175171618

IUPAC4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESC=Cc1ccc(NCC(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H27N/c1-5-18-8-12-21(13-9-18)22-15-17(4)20-10-6-19(7-11-20)14-16(2)3/h5-13,16-17,22H,1,14-15H2,2-4H3
InChIKeyJVQKNIJQWDWBSU-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.74
Rot. Bonds7

About 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (PubChem CID 175171618) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.

Molecular Properties

Compound Name4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
PubChem CID175171618
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESC=Cc1ccc(NCC(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H27N/c1-5-18-8-12-21(13-9-18)22-15-17(4)20-10-6-19(7-11-20)14-16(2)3/h5-13,16-17,22H,1,14-15H2,2-4H3
InChIKeyJVQKNIJQWDWBSU-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852912
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847
3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852592
2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
CID 144821853
N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
CID 90317414
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852650
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
1-ethenyl-4-[1-[2-(4-ethenylphenyl)propoxy]propan-2-yl]benzene
CID 139791979
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline
CID 144813865
2-ethyl-N-methyl-N'-[4-(2-methylpropyl)phenyl]propane-1,3-diamine
CID 115254758

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The IUPAC name of 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (CID 175171618) is 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.
What is the SMILES notation for 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The canonical SMILES for 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is C=Cc1ccc(NCC(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The InChIKey is JVQKNIJQWDWBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-5-18-8-12-21(13-9-18)22-15-17(4)20-10-6-19(7-11-20)14-16(2)3/h5-13,16-17,22H,1,14-15H2,2-4H3.
What are the key properties of 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline has a molecular weight of 293.45 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is sourced from PubChem (CID 175171618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).